Information card for entry 4307247

Structure parameters

• Formula: C14 H22 Cl2 O Ru S2
• Calculated formula: C14 H22 Cl2 O Ru S2
• SMILES: [Ru]12345([S]=C(S1)OC(C)C)(Cl)(Cl)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Synthetic and X-ray Structural and Reactivity Studies of Cp*RuIV Complexes Containing Bidentate Dithiocarbonate, Xanthate, Carbonate, and Phosphinate Ligands (Cp* = η5-C5Me5)
• Authors of publication: Elaine Phuay Leng Tay; Seah Ling Kuan; Weng Kee Leong; Lai Yoong Goh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1440 - 1450
• a: 17.9211 ± 0.0011 Å
• b: 7.0721 ± 0.0004 Å
• c: 15.0124 ± 0.0009 Å
• α: 90°
• β: 110.696 ± 0.001°
• γ: 90°
• Cell volume: 1779.89 ± 0.18 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No